4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide

C25H24F3NO3 — CID 141128182

IUPAC4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide
SMILESCc1cc(OC(c2ccc(C(N)=O)cc2)C(C)C)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H24F3NO3/c1-15(2)23(18-4-6-19(7-5-18)24(29)30)31-21-12-13-22(16(3)14-21)17-8-10-20(11-9-17)32-25(26,27)28/h4-15,23H,1-3H3,(H2,29,30)
InChIKeyNRROVPXAOHPYDE-UHFFFAOYSA-N
MW443.47 g/mol
LogP6.44
Rot. Bonds7

About 4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide

4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide (PubChem CID 141128182) has the molecular formula C25H24F3NO3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide.

Molecular Properties

Compound Name4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide
PubChem CID141128182
Molecular FormulaC25H24F3NO3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide
SMILESCc1cc(OC(c2ccc(C(N)=O)cc2)C(C)C)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H24F3NO3/c1-15(2)23(18-4-6-19(7-5-18)24(29)30)31-21-12-13-22(16(3)14-21)17-8-10-20(11-9-17)32-25(26,27)28/h4-15,23H,1-3H3,(H2,29,30)
InChIKeyNRROVPXAOHPYDE-UHFFFAOYSA-N
XLogP6.44
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
4-[1-[4-(4-fluorophenyl)-3-methylphenoxy]heptyl]benzamide
CID 141128283
1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 172649659
(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628415
pyridine;4-[4-(trifluoromethoxy)phenyl]benzamide
CID 155075156
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
pyridine;4-[4-(trifluoromethoxy)benzoyl]benzamide
CID 155345914
4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide
CID 142414901
2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
CID 146015319
1-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 164736174

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide?
The IUPAC name of 4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide (CID 141128182) is 4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide.
What is the SMILES notation for 4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide?
The canonical SMILES for 4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide is Cc1cc(OC(c2ccc(C(N)=O)cc2)C(C)C)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide?
The InChIKey is NRROVPXAOHPYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO3/c1-15(2)23(18-4-6-19(7-5-18)24(29)30)31-21-12-13-22(16(3)14-21)17-8-10-20(11-9-17)32-25(26,27)28/h4-15,23H,1-3H3,(H2,29,30).
What are the key properties of 4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide?
4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide has a molecular weight of 443.47 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide is sourced from PubChem (CID 141128182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).